[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-ethyl-[(4-pyrazol-1-ylphenyl)methyl]azanium

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-ethyl-[(4-pyrazol-1-ylphenyl)methyl]azanium Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]-ethyl-[(4-pyrazol-1-ylphenyl)methyl]ammonium CAS Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethyl-[[4-(1-pyrazolyl)phenyl]methyl]ammonium IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethyl-[(4-pyrazol-1-ylphenyl)methyl]azanium Traditional Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]-ethyl-(4-pyrazol-1-ylbenzyl)ammonium Formula: C22H25N4O3+ MolecularWeight: 393.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(C=C1)N2C=CC=N2)CC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC[NH+](CC1=CC=C(C=C1)N2C=CC=N2)CC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H24N4O3/c1-2-25(15-17-4-7-19(8-5-17)26-11-3-10-23-26)16-22(27)24-18-6-9-20-21(14-18)29-13-12-28-20/h3-11,14H,2,12-13,15-16H2,1H3,(H,24,27)/p+1